64 Lattice="5.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 5.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=188353.14493117578 stress="-852205.9843297172 -32684.8914148786 -446086.0122517515 -32684.8914148786 -901462.2755746162 169029.85316510312 -446086.0122517515 169029.85316510312 -507248.7988280109" pbc="F F F" Ne 0.60739502 0.18690219 0.10227922 -0.57386904 -6.18404810 1.03526731 Ne 0.67791448 0.95014993 -0.02362225 0.32714891 4.36344711 -1.38849303 Ne 0.79630882 1.77269803 0.14197432 -0.64732005 2.00582633 -0.46419234 Ne 1.52980255 1.57129854 1.59079599 -0.11769956 0.08123567 0.50852484 Ne 0.97869139 -0.05602885 1.76848969 -1.26116399 -16.32573886 12.41465528 Ne 1.02264803 0.50966644 1.33924507 1.27843824 16.35359198 -12.39933081 Ne -0.32968243 0.95398273 0.43251352 0.00080006 0.00631502 0.00341085 Ne 0.23220257 2.32104671 2.31231685 -1907078.31060262 -2259185.00307146 -1126304.12505283 Ne 3.07400777 -0.14200609 0.51189563 0.00049191 0.01665017 0.01391891 Ne 2.77173760 0.61248134 1.47042101 11.01402161 -7.94438609 -8.61669661 Ne 3.36741347 1.07047579 0.11989869 -0.00267543 -0.00734184 0.01260913 Ne 3.91329788 2.69503536 0.00966627 0.65156008 -0.20963037 0.35813682 Ne 3.58550855 0.17427901 1.52857652 -35.36613358 -19.12987359 6.50305098 Ne 4.17545627 0.48542144 1.42201480 35.80070771 18.89462095 -6.46521379 Ne 2.27220066 0.97819943 1.84450644 -11.22547960 8.21375481 8.57227798 Ne 3.35448290 1.69043476 2.03423525 0.02141234 -0.09212458 -0.03342278 Ne -0.09840886 2.12729326 -0.04248974 -0.19070276 0.06492386 -0.03473426 Ne 1.23104869 3.10302736 0.59519076 0.00428685 0.00125346 0.01105011 Ne 2.15041876 4.47100226 0.13272899 4537.19828220 2676.78538972 2897.29374406 Ne 1.80215974 4.26554061 -0.08965648 -4537.18826701 -2676.80529085 -2897.27598127 Ne 1.46178339 1.62509564 0.67308271 1.05857319 -0.22198683 0.32920750 Ne 1.42938026 3.67648549 1.79945932 664326.96540625 -93731.33788065 -142219.01918857 Ne -0.37719595 4.10980550 0.81022532 0.00511035 -0.00248482 0.00535331 Ne 0.21808569 3.92833233 2.18993453 -0.53253577 0.16838815 -0.30478871 Ne 3.14719420 2.94905211 -0.39343530 -0.65312328 0.22668581 -0.32772520 Ne 3.49423694 3.73896718 0.69897022 -106695.53961795 37812.80856427 -4442.99908714 Ne 3.84108178 3.61606895 0.71336732 106709.73229625 -37810.55842915 4428.96017621 Ne 4.78871851 4.18813095 0.60096610 0.00141707 0.00110011 0.00082601 Ne 3.24529661 3.42616842 1.58153549 152995.37542969 -633602.09766785 587804.76302508 Ne 4.61299153 2.54812412 1.32378571 -0.01517471 0.00899244 -0.00207392 Ne 2.77864364 3.67009991 0.92645773 -126.27357762 4.50114426 -124.10299838 Ne 3.19045609 3.65328170 1.37083863 -152883.30911049 633595.31381450 -587666.61395912 Ne 0.83118426 -0.46184628 2.93931699 -0.00032148 0.01648158 -0.01115930 Ne 0.47259102 0.88260936 2.63829920 -31.65941417 10.49937151 -11.25696728 Ne 1.09241074 0.68662285 2.84582313 32.51872016 -10.28723957 10.88242106 Ne 2.10445863 1.97715187 3.67118670 -6187.97799084 4417.54716736 4817.39742961 Ne 1.60141425 -0.13011573 3.73622629 -0.01034575 -0.10778581 -0.04155551 Ne 1.66416060 0.84215789 4.01602282 0.01037788 0.13136622 0.01739739 Ne -0.32239895 0.67286036 2.97868830 -0.83061579 -0.22268174 0.35826500 Ne 0.55828038 2.44377450 4.30210879 -2.30648647 -0.64908399 0.20507510 Ne 2.24852532 -0.16007824 1.81303830 -0.09618193 -0.12845952 0.05404006 Ne 3.68915141 0.71037200 3.41112918 -47.23180342 25.20086705 -34.99155432 Ne 4.45485051 0.97180223 2.76229959 0.04970207 0.03284430 -0.04830282 Ne 4.40440911 2.11024507 3.42562620 1628229.41425720 -1682445.88269718 1593178.96781835 Ne 4.17097454 0.45289133 3.76902475 42.25455282 -27.60587673 29.02803860 Ne 4.63238179 0.67792462 4.33260735 4.91471754 2.40657852 6.00080140 Ne 2.41203601 1.75757370 3.43173326 6187.97796890 -4417.57133624 -4817.42875136 Ne 3.37041435 2.37195048 4.71130214 -0.00432834 -0.00142878 -0.01157756 Ne 0.40403733 2.52460757 2.41380099 1907078.32874088 2259185.01801323 1126304.12648014 Ne 0.82363966 3.69224137 2.84948592 0.31945888 -0.14386489 0.47142274 Ne 1.11878759 3.72030769 1.86595095 -664326.74253338 93731.28442550 142218.85820703 Ne 2.04242603 4.52832734 2.83888477 -0.01278971 0.03483175 -0.07371986 Ne 1.36953835 2.62585588 4.24328496 1.28053742 0.74288692 -0.69797959 Ne 2.13896279 2.46910145 4.63146715 1.04641086 -0.19963667 0.54586061 Ne 0.45816696 3.39872561 3.99672824 -0.22110968 -1.04728991 -0.12048939 Ne 0.61823420 4.25791550 4.04795619 0.22437276 1.16341901 0.05980293 Ne 3.06897719 2.59820266 2.43074466 -0.02343906 0.06315031 0.02722495 Ne 3.32241384 3.58048351 2.85208586 -0.15053609 0.03899390 0.01668207 Ne 4.30092177 3.38091631 2.74906785 0.14841520 -0.13054887 -0.02478549 Ne 4.09405359 4.38526328 2.85580539 -0.01586349 0.09303287 0.01321232 Ne 4.23910745 2.28105085 3.26388292 -1628229.73035333 1682445.67059202 -1593179.55103775 Ne 4.80589662 2.39292097 4.19505400 0.29106326 0.20102712 0.56569350 Ne 2.14434646 3.93837215 3.68212449 0.01023048 -0.05342859 0.06565296 Ne 3.37610867 4.45838089 3.96915789 -0.00374271 -0.00943426 -0.01594123